6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde

C28H24O6 — CID 10742444

IUPAC6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde
SMILESCOc1ccc(-c2cccc3c(-c4ccc(OC)c(OC)c4C=O)cccc23)c(C=O)c1OC
InChIInChI=1S/C28H24O6/c1-31-25-13-11-21(23(15-29)27(25)33-3)19-9-5-8-18-17(19)7-6-10-20(18)22-12-14-26(32-2)28(34-4)24(22)16-30/h5-16H,1-4H3
InChIKeyYCDHNJAVBULUOW-UHFFFAOYSA-N
MW456.49 g/mol
LogP5.83
Rot. Bonds8

About 6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde

6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde (PubChem CID 10742444) has the molecular formula C28H24O6 and a molecular weight of 456.49 g/mol. Its IUPAC name is 6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde.

Molecular Properties

Compound Name6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde
PubChem CID10742444
Molecular FormulaC28H24O6
Molecular Weight456.49 g/mol
Exact Mass456.16
IUPAC Name6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde
SMILESCOc1ccc(-c2cccc3c(-c4ccc(OC)c(OC)c4C=O)cccc23)c(C=O)c1OC
InChIInChI=1S/C28H24O6/c1-31-25-13-11-21(23(15-29)27(25)33-3)19-9-5-8-18-17(19)7-6-10-20(18)22-12-14-26(32-2)28(34-4)24(22)16-30/h5-16H,1-4H3
InChIKeyYCDHNJAVBULUOW-UHFFFAOYSA-N
XLogP5.83
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.49
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2,3-dimethoxybenzaldehyde
CID 19389247
7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one
CID 10782790
3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde
CID 106888428
5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde
CID 66158473
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
5-chloro-3-(2,3-dimethoxyphenyl)-1-methylpyrazole-4-carbaldehyde
CID 87406312
6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 91468164
2-[2-(2,3-dimethoxyphenyl)phenyl]acetaldehyde
CID 87722000
3-chloro-2,6-dimethoxybenzaldehyde
CID 15414486
6-methoxyphenalene-1,3-dione
CID 22763709
2-methoxy-3-naphthalen-1-ylbenzaldehyde
CID 10879893
5-bromo-3-(2,3-dimethoxyphenyl)-1-phenylpyrazole-4-carbaldehyde
CID 87404898

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde?
The IUPAC name of 6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde (CID 10742444) is 6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde.
What is the SMILES notation for 6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde?
The canonical SMILES for 6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde is COc1ccc(-c2cccc3c(-c4ccc(OC)c(OC)c4C=O)cccc23)c(C=O)c1OC.
What is the InChIKey of 6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde?
The InChIKey is YCDHNJAVBULUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O6/c1-31-25-13-11-21(23(15-29)27(25)33-3)19-9-5-8-18-17(19)7-6-10-20(18)22-12-14-26(32-2)28(34-4)24(22)16-30/h5-16H,1-4H3.
What are the key properties of 6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde?
6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde has a molecular weight of 456.49 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde is sourced from PubChem (CID 10742444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).